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(Q60998668)
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English
(7R,14S)-dihydroxy-(8E,10E,12Z,16Z,19Z)-docosapentaenoic acid
chemical compound
7(R),14(S)-dihydroxy-omega3-docosapentaenoic acid
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
362.24570956799994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₃₄O₄
0 references
canonical SMILES
CCC=CCC=CCC(O)C=CC=CC=CC(O)CCCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(=C/[C@H](C/C=C\C/C=C\CC)O)/C=C/C=C/[C@@H](CCCCCC(O)=O)O
0 references
subject has role
primary metabolite
1 reference
stated in
Reactome
reference URL
https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT
Identifiers
InChI
InChI=1S/C22H34O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-8,10-12,16-17,20-21,23-24H,2,5,9,13-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,16-11-,17-12+/t20-,21-/m0/s1
0 references
InChIKey
QWOUVGWCGKEVEB-NEVPTXAHSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
132472313
1 reference
matched by identifier from
InChIKey
InChIKey
QWOUVGWCGKEVEB-NEVPTXAHSA-N
ChEBI ID
140256
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H34O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-8,10-12,16-17,20-21,23-24H,2,5,9,13-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,16-11-,17-12+/t20-,21-/m0/s1
UniChem compound ID
164438323
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA04000098
1 reference
InChIKey
QWOUVGWCGKEVEB-NEVPTXAHSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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